7-Oxoundecanoic acid

Base Information

• Chemical Name: 7-Oxoundecanoic acid
• CAS No.: 71173-33-6
• Molecular Formula: C11H20O3
• Molecular Weight: 200.27500
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID90991498
• Nikkaji Number: J206.124D
• Wikidata: Q82981305
• Mol file: 71173-33-6.mol

Synonyms:7-oxoundecanoic acid;71173-33-6;MFCD01320164;7-oxo-undecanoic acid;7-OXOUNDECANOICACID;SCHEMBL11982263;DTXSID90991498;AKOS016022375

Chemical Property of 7-Oxoundecanoic acid

Chemical Property:

• Vapor Pressure: 7.5E-06mmHg at 25°C
• Boiling Point: 350.5oC at 760 mmHg
• PKA: 4.74±0.10(Predicted)
• Flash Point: 180oC
• PSA: 54.37000
• Density: 0.992g/cm3
• LogP: 2.78080
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 200.14124450
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

7-oxoundecanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)CCCCCC(=O)O

Technology Process of 7-Oxoundecanoic acid

There total 3 articles about 7-Oxoundecanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-n-butylcyclohept-1-ene (13152-42-6) → 7-oxo-undecanoic acid (71173-33-6)

Guidance literature:

With formic acid; ozone; Behandeln des Reaktionsgemisches mit Aether, Zink und Wasser und anschliessend mit 30prozentig. wss. Wasserstoffperoxid, Ameisensaeure und Ammoniumacetat;

DOI:10.1139/v55-211

Reference yield:

cycloheptanone (502-42-1) → 7-oxo-undecanoic acid (71173-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / Erhitzen des Reaktionsprodukts mit wenig Jod in Xylol

2: ozone; formic acid / Behandeln des Reaktionsgemisches mit Aether, Zink und Wasser und anschliessend mit 30prozentig. wss. Wasserstoffperoxid, Ameisensaeure und Ammoniumacetat

With formic acid; diethyl ether; ozone;

DOI:10.1139/v55-211

Reference yield:

→ 7-oxo-undecanoic acid (71173-33-6)

Guidance literature:

upstream raw materials:

1-n-butylcyclohept-1-ene

cycloheptanone